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. 2012 Jul 1;68(Pt 7):o2277-8.
doi: 10.1107/S1600536812028930. Epub 2012 Jun 30.

(2E)-3-(6-Meth-oxy-naphthalen-2-yl)-1-[4-(methyl-sulfan-yl)phen-yl]prop-2-en-1-one

Hoong-Kun Fun, Tze Shyang Chia, Mahesh Padaki, Arun M Isloor, A F Ismail

(2E)-3-(6-Meth-oxy-naphthalen-2-yl)-1-[4-(methyl-sulfan-yl)phen-yl]prop-2-en-1-one

Hoong-Kun Fun et al. Acta Crystallogr Sect E Struct Rep Online. .

Abstract

The asymmetric unit of the title compound, C(21)H(18)O(2)S, consists of two crystallographically independent mol-ecules (A and B). The mol-ecules exist in a trans conformation with respect to the central C=C bond. The naphthalene ring system makes dihedral angles of 51.62 (12) (mol-ecule A) and 52.69 (12)° (mol-ecule B) with the benzene ring. In mol-ecule A, the prop-2-en-1-one group forms dihedral angles of 22.84 (15) and 29.02 (12)° with the adjacent naphthalene ring system and benzene ring, respectively, whereas the corresponding angles are 30.04 (12) and 23.33 (12)° in mol-ecule B. In the crystal, mol-ecules are linked by inter-molecular C-H⋯O hydrogen bonds into head-to-tail chains along the a axis. The crystal packing also features C-H⋯π inter-actions. The crystal studied was a pseudo-merohedral twin with twin law (100 0-10 00-1) and a refined component ratio of 0.6103 (16):0.3897 (16).

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Figures

Fig. 1.
Fig. 1.
The molecular structure of the title compound with atom labels and 50% probability displacement ellipsoids.
Fig. 2.
Fig. 2.
The crystal packing of the title compound. Hydrogen atoms not involved in hydrogen bonding (dashed lines) have been omitted for clarity.
See this image and copyright information in PMC

References

    1. Allen, F. H., Kennard, O., Watson, D. G., Brammer, L., Orpen, A. G. & Taylor, R. (1987). J. Chem. Soc. Perkin Trans. 2, pp. S1–19.
    1. Amir, M., Javed, S. A. & Kumar, H. (2008). Acta Pharm. 58, 467–477. - PubMed
    1. Atwal, K. S., Rovnyak, G. C., Kimball, S. D., Floyd, D. M., Moreland, S., Swanson, B. N., Gougoutas, J. Z., Schwartz, J., Smillie, K. M. & Malley, M. F. (1990). J. Med. Chem. 33, 2629–2635. - PubMed
    1. Bruker (2009). SADABS, APEX2 and SAINT Bruker AXS Inc., Madison, Wisconsin, USA.
    1. Cosier, J. & Glazer, A. M. (1986). J. Appl. Cryst. 19, 105–107.